Martial Boggio-Pasqua

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Fluorescent proteins have been widely used as genetically encodable fusion tags for biological imaging. Recently, a new class of fluorescent proteins was discovered that can be reversibly light-switched between a fluorescent and a non-fluorescent state. Such proteins can not only provide nanoscale resolution in far-field fluorescence optical microscopy much(More)
We have performed excited-state dynamics simulations of a Photoactive Yellow Protein chromophore analogue in water. The results of the simulations demonstrate that in water the chromophore predominantly undergoes single-bond photoisomerization, rather than double-bond photoisomerization. Despite opposite charge distributions in the chromophore,(More)
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Multiconfigurational ab initio calculations and QM/MM molecular dynamics simulations of a photoexcited cytosine-guanine base pair in both gas phase and embedded in the DNA provide detailed structural and dynamical insights into the ultrafast radiationless deactivation mechanism. Photon absorption promotes transfer of a proton from the guanine to the(More)
In electron donor/acceptor species such as 4-(dimethylamino)benzonitrile (DMABN), the excitation to the S(2) state is followed by internal conversion to the locally excited (LE) state. Dual fluorescence then becomes possible from both the LE and the twisted intramolecular charge-transfer (TICT) states. A detailed mechanism for the ICT of DMABN and(More)
How much time does it take for a wavepacket to roam on a multidimensional potential energy surface? This combined theoretical and pump-probe femtosecond time experiment on 2-hydroxypyridine proposes an answer. Bypassing the well-established transition state and conical intersection relaxation pathways, this molecular system undergoes relaxation into the S1(More)
Photoactive Yellow Protein (PYP) is believed to be the primary photoreceptor for the photo avoidance response of the salt-tolerant bacterium Halorhodospira halophila. PYP contains a deprotonated 4-hydroxy-cinnamic acid (or p-coumaric acid, pca) chromophore linked covalently to the γ-sulphur of Cys69 via a thioester bond (Figure 1). 1 Upon absorbing a(More)
This paper reports the experimental and theoretical investigations of two trigonal bipyramidal Ni(II) complexes, [Ni(Me(6)tren)Cl](ClO(4)) (1) and [Ni(Me(6)tren)Br](Br) (2). High-field, high-frequency electron paramagnetic resonance spectroscopy performed on a single crystal of 1 shows a giant uniaxial magnetic anisotropy with an experimental D(expt) value(More)
Dihydroazulene (DHA)/vinylheptafulvene (VHF) photochromism has been investigated by studying the isomerization of 1,2,3,8a,9-pentahydrocyclopent[a]azulene-9,9-dicarbonitrile through complete active space-self consistent field calculations on the ground (S(0)) and first excited (S(1)) states of smaller model compounds. In each case, the S(1) reaction(More)